General Information of the Compound
| Compound ID |
CP0092337
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[6-(3-aminopropyl)-5,11-dioxoindeno[1,2-c]isoquinolin-3-yl]amino]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19N3O4
|
||||||||||||||||||
| Molecular Weight |
377.4
|
||||||||||||||||||
| Canonical SMILES |
NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NCC(O)=O)cc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19N3O4/c22-8-3-9-24-19-14-4-1-2-5-15(14)20(27)18(19)13-7-6-12(23-11-17(25)26)10-16(13)21(24)28/h1-2,4-7,10,23H,3,8-9,11,22H2,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKDKMZHAOXZKID-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound